1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene

C17H12 — CID 161312364

IUPAC1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene
SMILESC1=CC2=C(c3cccc4ccccc34)C=C1C2
InChIInChI=1S/C17H12/c1-2-6-15-13(4-1)5-3-7-16(15)17-11-12-8-9-14(17)10-12/h1-9,11H,10H2
InChIKeyVJBDWSFQZWEXLU-UHFFFAOYSA-N
MW216.28 g/mol
LogP4.49
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene

1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene (PubChem CID 161312364) has the molecular formula C17H12 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene
PubChem CID161312364
Molecular FormulaC17H12
Molecular Weight216.28 g/mol
Exact Mass216.09
IUPAC Name1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene
SMILESC1=CC2=C(c3cccc4ccccc34)C=C1C2
InChIInChI=1S/C17H12/c1-2-6-15-13(4-1)5-3-7-16(15)17-11-12-8-9-14(17)10-12/h1-9,11H,10H2
InChIKeyVJBDWSFQZWEXLU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
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tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
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CID 11327769
9-naphthalen-1-ylphenanthrene
CID 20606742
9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene
CID 59642732
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene?
The IUPAC name of 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene (CID 161312364) is 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene is C1=CC2=C(c3cccc4ccccc34)C=C1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene?
The InChIKey is VJBDWSFQZWEXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12/c1-2-6-15-13(4-1)5-3-7-16(15)17-11-12-8-9-14(17)10-12/h1-9,11H,10H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene?
1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene has a molecular weight of 216.28 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene is sourced from PubChem (CID 161312364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).